Calcium in PDB 8asa: Crystal Structure of AO75L

The structure of Crystal Structure of AO75L, PDB code: 8asa was solved by M.E.Laugeri, I.Speciale, A.Gimeno, S.Lin, A.Poveda, T.Lowary, J.L.Vanetten, J.J.Barbero, C.De Castro, M.Tonetti, A.L.Rojas, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	76.84 / 2.20
Space group	P 1
Cell size a, b, c (Å), α, β, γ (°)	86.708, 90.772, 91.676, 90.46, 108.6, 109.71
R / Rfree (%)	19.4 / 24.1

The structure of Crystal Structure of AO75L also contains other interesting chemical elements:

Magnesium

(Mg)

25 atoms

Pages:

>>> Page 1 <<< Page 2, Binding sites: 11 - 20; Page 3, Binding sites: 21 - 26;

Binding sites:

The binding sites of Calcium atom in the Crystal Structure of AO75L (pdb code 8asa). This binding sites where shown within 5.0 Angstroms radius around Calcium atom.
In total 26 binding sites of Calcium where determined in the Crystal Structure of AO75L, PDB code: 8asa:
Jump to Calcium binding site number: 1; 2; 3; 4; 5; 6; 7; 8; 9; 10;

Calcium binding site 1 out of 26 in the Crystal Structure of AO75L


Mono view


Stereo pair view

A full contact list of Calcium with other atoms in the Ca binding site number 1 of Crystal Structure of AO75L within 5.0Å range: probe atom residue distance (Å) B Occ A:Ca315 b:32.5 occ:1.00 O A:GLU242 2.2 30.8 1.0 OD1 A:ASP240 2.3 33.0 1.0 O A:HOH437 2.4 29.4 1.0 O22 A:BCN317 2.4 33.1 1.0 O4 A:BCN317 2.4 31.2 1.0 N1 A:BCN317 2.7 33.5 1.0 O6 A:BCN317 2.9 35.0 1.0 C4 A:BCN317 3.3 31.3 1.0 C3 A:BCN317 3.3 33.4 1.0 C2 A:BCN317 3.3 32.6 1.0 CG A:ASP240 3.4 29.7 1.0 C A:GLU242 3.5 30.1 1.0 C1 A:BCN317 3.5 33.3 1.0 C5 A:BCN317 3.6 33.9 1.0 C6 A:BCN317 3.6 34.0 1.0 OD2 A:ASP240 3.8 31.8 1.0 N A:GLU242 4.0 28.4 1.0 O A:ASP240 4.1 28.4 1.0 CA A:GLU242 4.2 29.1 1.0 CB A:ASN243 4.3 29.2 1.0 C A:ASP240 4.4 26.9 1.0 O21 A:BCN317 4.5 31.7 1.0 N A:ASN243 4.5 30.2 1.0 CB A:GLU242 4.6 28.8 1.0 N A:ASP240 4.6 27.2 1.0 CB A:ASP240 4.6 28.3 1.0 CA A:CA316 4.8 61.5 1.0 CA A:ASN243 4.8 29.6 1.0 CA A:ASP240 4.8 27.0 1.0 C A:ASN243 4.8 30.6 1.0 OD1 A:ASN243 4.9 34.7 1.0 C A:TRP241 4.9 27.1 1.0 N A:TRP241 4.9 26.2 1.0

Calcium binding site 2 out of 26 in the Crystal Structure of AO75L


Mono view


Stereo pair view

A full contact list of Calcium with other atoms in the Ca binding site number 2 of Crystal Structure of AO75L within 5.0Å range: probe atom residue distance (Å) B Occ A:Ca316 b:61.5 occ:1.00 ND2 A:ASN239 3.1 29.6 1.0 O22 A:BCN317 3.6 33.1 1.0 C2 A:BCN317 3.6 32.6 1.0 O21 A:BCN317 4.0 31.7 1.0 C1 A:BCN317 4.1 33.3 1.0 CG A:ASN239 4.2 30.3 1.0 CB A:ASN239 4.3 29.4 1.0 C6 A:BCN317 4.3 34.0 1.0 O6 A:BCN317 4.5 35.0 1.0 CA A:CA315 4.8 32.5 1.0 O A:HOH547 4.8 49.9 1.0 N1 A:BCN317 4.8 33.5 1.0 O A:HOH474 4.8 45.2 1.0

Calcium binding site 3 out of 26 in the Crystal Structure of AO75L


Mono view


Stereo pair view

A full contact list of Calcium with other atoms in the Ca binding site number 3 of Crystal Structure of AO75L within 5.0Å range: probe atom residue distance (Å) B Occ B:Ca310 b:76.2 occ:1.00 CE1 B:TYR43 4.4 41.4 1.0 CD1 B:TYR43 4.8 39.1 1.0 CB B:SER48 4.8 33.9 1.0 O B:HOH470 4.9 27.4 1.0 CG1 B:VAL58 5.0 38.7 1.0

Calcium binding site 4 out of 26 in the Crystal Structure of AO75L


Mono view


Stereo pair view

A full contact list of Calcium with other atoms in the Ca binding site number 4 of Crystal Structure of AO75L within 5.0Å range: probe atom residue distance (Å) B Occ B:Ca311 b:35.5 occ:1.00 O B:GLU242 2.3 29.9 1.0 OD1 B:ASP240 2.3 39.2 1.0 O21 B:BCN313 2.4 34.4 1.0 O4 B:BCN313 2.5 32.3 1.0 O6 B:BCN313 2.5 31.7 1.0 O B:HOH493 2.6 40.6 1.0 N1 B:BCN313 2.8 32.3 1.0 C2 B:BCN313 3.3 32.9 1.0 C4 B:BCN313 3.4 32.5 1.0 CG B:ASP240 3.4 34.8 1.0 C3 B:BCN313 3.4 33.5 1.0 C6 B:BCN313 3.5 31.5 1.0 C B:GLU242 3.5 30.4 1.0 C5 B:BCN313 3.5 32.2 1.0 C1 B:BCN313 3.6 32.8 1.0 OD2 B:ASP240 3.9 38.5 1.0 N B:GLU242 4.0 29.9 1.0 O B:ASP240 4.1 31.6 1.0 CA B:GLU242 4.2 29.1 1.0 C B:ASP240 4.3 29.0 1.0 CB B:ASN243 4.4 32.2 1.0 O22 B:BCN313 4.5 31.4 1.0 N B:ASN243 4.5 30.7 1.0 N B:ASP240 4.6 30.3 1.0 CB B:ASP240 4.6 32.3 1.0 CB B:GLU242 4.6 29.0 1.0 CA B:ASP240 4.7 30.5 1.0 OD1 B:ASN243 4.8 35.2 1.0 CA B:CA312 4.8 87.1 1.0 CA B:ASN243 4.8 31.8 1.0 N B:TRP241 4.9 29.6 1.0 C B:TRP241 4.9 30.0 1.0 C B:ASN243 5.0 32.5 1.0

Calcium binding site 5 out of 26 in the Crystal Structure of AO75L


Mono view


Stereo pair view

A full contact list of Calcium with other atoms in the Ca binding site number 5 of Crystal Structure of AO75L within 5.0Å range: probe atom residue distance (Å) B Occ B:Ca312 b:87.1 occ:1.00 ND2 B:ASN239 3.3 32.1 1.0 O21 B:BCN313 3.7 34.4 1.0 C2 B:BCN313 3.7 32.9 1.0 O22 B:BCN313 4.0 31.4 1.0 C1 B:BCN313 4.2 32.8 1.0 CG B:ASN239 4.3 31.3 1.0 C6 B:BCN313 4.3 31.5 1.0 CB B:ASN239 4.3 29.5 1.0 O6 B:BCN313 4.3 31.7 1.0 CA B:CA311 4.8 35.5 1.0 N1 B:BCN313 4.9 32.3 1.0

Calcium binding site 6 out of 26 in the Crystal Structure of AO75L


Mono view


Stereo pair view

A full contact list of Calcium with other atoms in the Ca binding site number 6 of Crystal Structure of AO75L within 5.0Å range: probe atom residue distance (Å) B Occ C:Ca308 b:33.6 occ:1.00 O21 C:BCN311 2.2 35.0 1.0 OD1 C:ASP240 2.3 28.8 1.0 O C:GLU242 2.4 31.1 1.0 O C:HOH483 2.4 45.3 1.0 O C:HOH435 2.4 37.6 1.0 O4 C:BCN311 2.6 34.5 1.0 O6 C:BCN311 2.8 33.8 1.0 C3 C:BCN311 2.9 34.4 1.0 C2 C:BCN311 3.0 36.5 1.0 C4 C:BCN311 3.1 35.1 1.0 C1 C:BCN311 3.2 36.4 1.0 N1 C:BCN311 3.3 34.9 1.0 CG C:ASP240 3.3 29.9 1.0 C6 C:BCN311 3.5 36.6 1.0 C C:GLU242 3.6 30.3 1.0 OD2 C:ASP240 3.7 32.8 1.0 C5 C:BCN311 4.0 36.5 1.0 N C:GLU242 4.1 29.1 1.0 O C:ASP240 4.1 30.2 1.0 O22 C:BCN311 4.3 34.0 1.0 CA C:GLU242 4.3 30.7 1.0 CB C:ASN243 4.4 32.6 1.0 C C:ASP240 4.4 29.1 1.0 O C:HOH501 4.6 44.9 1.0 N C:ASN243 4.6 30.7 1.0 CB C:ASP240 4.6 29.3 1.0 CB C:GLU242 4.7 31.3 1.0 N C:ASP240 4.7 29.8 1.0 CA C:ASP240 4.8 29.3 1.0 CA C:ASN243 4.9 32.3 1.0 ND2 C:ASN243 4.9 34.1 1.0 N C:TRP241 4.9 29.5 1.0 C C:ASN243 5.0 33.0 1.0 C C:TRP241 5.0 29.5 1.0

Calcium binding site 7 out of 26 in the Crystal Structure of AO75L


Mono view


Stereo pair view

A full contact list of Calcium with other atoms in the Ca binding site number 7 of Crystal Structure of AO75L within 5.0Å range: probe atom residue distance (Å) B Occ C:Ca309 b:80.1 occ:1.00 O C:HOH423 2.0 50.1 1.0 O A:HOH419 2.4 26.7 1.0 OD2 C:ASP167 3.0 45.8 1.0 OD2 A:ASP167 3.1 47.1 1.0 OD1 C:ASP167 3.2 43.0 1.0 O C:HOH499 3.5 49.8 1.0 CG C:ASP167 3.5 44.6 1.0 O C:LEU164 3.7 29.4 1.0 NZ C:LYS168 3.9 36.8 1.0 O C:HOH486 3.9 38.4 1.0 CG A:ASP167 4.0 45.6 1.0 OD1 A:ASP167 4.2 46.4 1.0 CE C:LYS168 4.4 35.7 1.0 O C:ASP163 4.5 26.3 1.0 O A:HOH439 4.6 63.5 1.0 C C:LEU164 4.6 29.0 1.0 O A:ASP163 4.8 27.7 1.0 O A:LEU164 4.9 25.9 1.0 O A:HOH446 5.0 38.9 1.0 O A:HOH501 5.0 62.0 1.0

Calcium binding site 8 out of 26 in the Crystal Structure of AO75L


Mono view


Stereo pair view

A full contact list of Calcium with other atoms in the Ca binding site number 8 of Crystal Structure of AO75L within 5.0Å range: probe atom residue distance (Å) B Occ C:Ca310 b:75.5 occ:1.00 O C:HOH513 2.4 44.7 1.0 NZ C:LYS223 3.2 42.8 1.0 CE C:LYS223 3.7 41.2 1.0 ND2 C:ASN239 4.0 29.9 1.0 OD1 C:ASN239 4.2 30.8 1.0 CG C:ASN239 4.5 30.2 1.0 O C:HOH456 4.7 49.8 1.0 O C:HOH532 4.7 53.8 1.0

Calcium binding site 9 out of 26 in the Crystal Structure of AO75L


Mono view


Stereo pair view

A full contact list of Calcium with other atoms in the Ca binding site number 9 of Crystal Structure of AO75L within 5.0Å range: probe atom residue distance (Å) B Occ D:Ca313 b:74.5 occ:1.00 OD2 D:ASP75 2.8 32.8 1.0 OD1 D:ASP75 3.3 31.6 1.0 CG D:ASP75 3.4 31.9 1.0 ND2 D:ASN98 4.1 31.4 1.0 O D:HOH515 4.3 36.2 1.0 CB D:SER77 4.4 36.5 1.0 OG D:SER77 4.4 38.5 1.0 CA D:CA314 4.7 73.7 1.0 CB D:ASP75 4.9 31.2 1.0

Calcium binding site 10 out of 26 in the Crystal Structure of AO75L


Mono view


Stereo pair view

A full contact list of Calcium with other atoms in the Ca binding site number 10 of Crystal Structure of AO75L within 5.0Å range: probe atom residue distance (Å) B Occ D:Ca314 b:73.7 occ:1.00 O D:HOH551 2.8 56.4 1.0 O D:HOH430 2.9 33.6 1.0 O D:HOH459 2.9 24.2 1.0 OD2 D:ASP75 2.9 32.8 1.0 CG D:ASP75 3.7 31.9 1.0 CD1 D:ILE204 3.9 29.6 1.0 CB D:ASP75 3.9 31.2 1.0 O D:ASP73 4.2 28.7 1.0 NH2 D:ARG200 4.3 29.8 1.0 N D:ASP75 4.3 30.2 1.0 CG1 D:ILE204 4.4 28.9 1.0 O D:HOH515 4.4 36.2 1.0 O D:ASN202 4.6 36.0 1.0 OD1 D:ASP75 4.7 31.6 1.0 CA D:CA313 4.7 74.5 1.0 CA D:ASP75 4.8 30.8 1.0 ND2 D:ASN98 4.8 31.4 1.0 NH1 D:ARG200 4.9 29.8 1.0 C D:TYR74 5.0 29.7 1.0 O D:HOH495 5.0 31.1 1.0

M.E.Laugeri, I.Speciale, A.Gimeno, S.Lin, A.Poveda, T.Lowary, J.L.Van Etten, J.J.Barbero, C.De Castro, M.Tonetti, A.L.Rojas. Crystal Structure of AO75L To Be Published.